GCC Code Coverage Report

Line	Branch	Exec	Source
1			// ./tests/catch2-tests [section] -s
2
3
4			/////////////////////// Qt includes
5			#include <QDebug>
6			#include <QString>
7			#include <QDir>
8
9
10			/////////////////////// IsoSpec
11			#include <IsoSpec++/isoSpec++.h>
12			#include <IsoSpec++/element_tables.h>
13
14
15			/////////////////////// Catch2 includes
16			#include <catch2/catch_test_macros.hpp>
17			#include <catch2/matchers/catch_matchers_floating_point.hpp>
18
19
20			/////////////////////// Local includes
21			#include "tests-config.h"
22			#include <libXpertMass/Isotope.hpp>
23			#include <libXpertMass/IsotopicDataLibraryHandler.hpp>
24			#include <libXpertMass/Formula.hpp>
25
26			namespace MsXpS
27			{
28
29			namespace libXpertMass
30			{
31
32			QString glucose_formula_string("C6H12O6");
33			QString saccharose_formula_string("C12H22O11");
34			QString action_formula_string_MA_dipeptidyl("+C5H11N1O2S1-H2O+C3H7N1O2-H2O");
35			QString action_formula_string_with_title(
36			"\"MA dipeptide\"+C5H11N1O2S1-H2O+C3H7N1O2-H2O");
37
38		12	SCENARIO("Construction of Formula_s with a simple no-action string")
39			{
40
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42			{
43	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	Formula formula_c6h12O6(glucose_formula_string);
44	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	Formula formula_c6h12O6_copy(formula_c6h12O6);
45
46	7/14 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 4 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✗ Branch 24 not taken.	4	THEN("The the formula string is set to the member datum")
47			{
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49			glucose_formula_string.toStdString());
50	8/20 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 4 times. ✗ Branch 20 not taken. ✓ Branch 22 taken 4 times. ✗ Branch 23 not taken. ✓ Branch 29 taken 4 times. ✗ Branch 30 not taken. ✗ Branch 38 not taken. ✗ Branch 39 not taken. ✗ Branch 41 not taken. ✗ Branch 42 not taken.	4	REQUIRE(formula_c6h12O6_copy.toString().toStdString() ==
51			glucose_formula_string.toStdString());
52		4	}
53		16	}
54
55	8/14 ✓ Branch 1 taken 12 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 12 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 12 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 12 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 12 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 12 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 8 times.	12	AND_WHEN("Setting another formula string manually")
56			{
57	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	Formula formula_c6h12O6(glucose_formula_string);
58	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	formula_c6h12O6.setFormula(saccharose_formula_string);
59
60	7/14 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 4 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✗ Branch 24 not taken.	4	THEN("The new formula string is set accordingly to the member datum")
61			{
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63			saccharose_formula_string.toStdString());
64		4	}
65		16	}
66
67	8/14 ✓ Branch 1 taken 12 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 12 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 12 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 12 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 12 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 12 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 8 times.	12	AND_WHEN("Appending another formula string")
68			{
69	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	Formula formula_c6h12O6(glucose_formula_string);
70	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	formula_c6h12O6.appendFormula(saccharose_formula_string);
71		4	QString after_appending_fomula(glucose_formula_string);
72	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	after_appending_fomula += saccharose_formula_string;
73
74	7/14 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 4 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✗ Branch 24 not taken.	4	THEN("The member formula string is updated accordingly")
75			{
76	8/20 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 4 times. ✗ Branch 20 not taken. ✓ Branch 22 taken 4 times. ✗ Branch 23 not taken. ✓ Branch 29 taken 4 times. ✗ Branch 30 not taken. ✗ Branch 38 not taken. ✗ Branch 39 not taken. ✗ Branch 41 not taken. ✗ Branch 42 not taken.	4	REQUIRE(formula_c6h12O6.toString().toStdString() ==
77			after_appending_fomula.toStdString());
78		4	}
79		16	}
80		12	}
81
82		4	SCENARIO("Construction of Formula_s with another Formula instance")
83			{
84	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	Formula formula_c6h12O6(glucose_formula_string);
85
86	7/14 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 4 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✗ Branch 24 not taken.	4	WHEN("Constructed with another Formula instance")
87			{
88	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	Formula formula_c6h12O6_copy(formula_c6h12O6);
89
90	7/14 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 4 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✗ Branch 24 not taken.	4	THEN("The Formula string is set to the member datum")
91			{
92	8/20 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 4 times. ✗ Branch 20 not taken. ✓ Branch 22 taken 4 times. ✗ Branch 23 not taken. ✓ Branch 29 taken 4 times. ✗ Branch 30 not taken. ✗ Branch 38 not taken. ✗ Branch 39 not taken. ✗ Branch 41 not taken. ✗ Branch 42 not taken.	4	REQUIRE(formula_c6h12O6.toString().toStdString() ==
93			glucose_formula_string.toStdString());
94	8/20 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 4 times. ✗ Branch 20 not taken. ✓ Branch 22 taken 4 times. ✗ Branch 23 not taken. ✓ Branch 29 taken 4 times. ✗ Branch 30 not taken. ✗ Branch 38 not taken. ✗ Branch 39 not taken. ✗ Branch 41 not taken. ✗ Branch 42 not taken.	4	REQUIRE(formula_c6h12O6_copy.toString().toStdString() ==
95			glucose_formula_string.toStdString());
96		4	}
97		8	}
98		4	}
99
100		20	SCENARIO("Syntax checking of an action Formula with or without the title")
101			{
102	1/2 ✓ Branch 1 taken 20 times. ✗ Branch 2 not taken.	20	Formula formula_MA_dipeptidyl(action_formula_string_MA_dipeptidyl);
103	1/2 ✓ Branch 1 taken 20 times. ✗ Branch 2 not taken.	20	Formula titled_formula_MA_dipeptidyl(action_formula_string_with_title);
104
105	8/14 ✓ Branch 1 taken 20 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 20 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 20 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 20 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 20 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 20 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 16 times.	20	WHEN("Constructed, the formula string is set to the member datum as is")
106			{
107	8/20 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 4 times. ✗ Branch 20 not taken. ✓ Branch 22 taken 4 times. ✗ Branch 23 not taken. ✓ Branch 29 taken 4 times. ✗ Branch 30 not taken. ✗ Branch 38 not taken. ✗ Branch 39 not taken. ✗ Branch 41 not taken. ✗ Branch 42 not taken.	4	REQUIRE(formula_MA_dipeptidyl.toString().toStdString() ==
108			action_formula_string_MA_dipeptidyl.toStdString());
109	8/20 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 4 times. ✗ Branch 20 not taken. ✓ Branch 22 taken 4 times. ✗ Branch 23 not taken. ✓ Branch 29 taken 4 times. ✗ Branch 30 not taken. ✗ Branch 38 not taken. ✗ Branch 39 not taken. ✗ Branch 41 not taken. ✗ Branch 42 not taken.	4	REQUIRE(titled_formula_MA_dipeptidyl.toString().toStdString() ==
110			action_formula_string_with_title.toStdString());
111		20	}
112
113	8/14 ✓ Branch 1 taken 20 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 20 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 20 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 20 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 20 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 20 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 16 times.	20	AND_WHEN("Checked without forcing an index even for single atoms")
114			{
115	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	formula_MA_dipeptidyl.setForceCountIndex(false);
116	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	titled_formula_MA_dipeptidyl.setForceCountIndex(false);
117
118	7/14 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 4 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✗ Branch 24 not taken.	4	THEN("Checking succeeds")
119			{
120	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 20 taken 4 times. ✗ Branch 21 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken. ✗ Branch 29 not taken. ✗ Branch 30 not taken.	4	REQUIRE(formula_MA_dipeptidyl.checkSyntax() == true);
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122		4	}
123		20	}
124
125	8/14 ✓ Branch 1 taken 20 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 20 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 20 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 20 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 20 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 20 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 16 times.	20	AND_WHEN("Checked with forcing an index even for single atoms")
126			{
127	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	formula_MA_dipeptidyl.setForceCountIndex(true);
128	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	titled_formula_MA_dipeptidyl.setForceCountIndex(true);
129
130	7/14 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 4 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✗ Branch 24 not taken.	4	THEN("Checking fails")
131			{
132
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135		4	}
136		20	}
137	8/14 ✓ Branch 1 taken 20 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 20 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 20 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 20 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 20 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 20 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 16 times.	20	AND_WHEN("Checking an invalid Formula starting with a cipher")
138			{
139	2/4 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken.	4	Formula formula("3Cz3H12O6N14L2");
140	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	formula.setForceCountIndex(false);
141
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143			{
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145		4	}
146		24	}
147
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149			"Checking an invalid Formula ending not with an alphabetic character or a "
150			"number")
151			{
152	2/4 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken.	4	Formula formula("Cz3H12O6N14L2§");
153	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	formula.setForceCountIndex(false);
154
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156			{
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158		4	}
159		24	}
160		20	}
161
162		8	SCENARIO("Validation of an action Formula, with or without a title")
163			{
164	1/2 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken.	8	IsotopicDataLibraryHandler iso_data_lib_handler;
165
166		8	std::size_t non_isotope_skipped_items = 0;
167			std::size_t loaded_isotope_count =
168	1/2 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken.	8	iso_data_lib_handler.loadData(non_isotope_skipped_items);
169
170		8	IsotopicDataCstSPtr isotopic_data_csp = nullptr;
171
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173			IsoSpec::isospec_number_of_isotopic_entries);
174
175	1/2 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken.	8	isotopic_data_csp = iso_data_lib_handler.getIsotopicData();
176	6/16 ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 8 times. ✗ Branch 9 not taken. ✓ Branch 11 taken 8 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 8 times. ✗ Branch 15 not taken. ✓ Branch 17 taken 8 times. ✗ Branch 18 not taken. ✓ Branch 21 taken 8 times. ✗ Branch 22 not taken. ✗ Branch 27 not taken. ✗ Branch 28 not taken. ✗ Branch 30 not taken. ✗ Branch 31 not taken.	8	REQUIRE(isotopic_data_csp->size() == loaded_isotope_count);
177
178	1/2 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken.	8	Formula formula_MA_dipeptidyl(action_formula_string_MA_dipeptidyl);
179	1/2 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken.	8	Formula titled_formula_MA_dipeptidyl(action_formula_string_with_title);
180
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182			{
183	8/20 ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 8 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 8 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 8 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 8 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 8 times. ✗ Branch 20 not taken. ✓ Branch 22 taken 8 times. ✗ Branch 23 not taken. ✓ Branch 29 taken 8 times. ✗ Branch 30 not taken. ✗ Branch 38 not taken. ✗ Branch 39 not taken. ✗ Branch 41 not taken. ✗ Branch 42 not taken.	8	REQUIRE(formula_MA_dipeptidyl.toString().toStdString() ==
184			action_formula_string_MA_dipeptidyl.toStdString());
185	8/20 ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 8 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 8 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 8 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 8 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 8 times. ✗ Branch 20 not taken. ✓ Branch 22 taken 8 times. ✗ Branch 23 not taken. ✓ Branch 29 taken 8 times. ✗ Branch 30 not taken. ✗ Branch 38 not taken. ✗ Branch 39 not taken. ✗ Branch 41 not taken. ✗ Branch 42 not taken.	8	REQUIRE(titled_formula_MA_dipeptidyl.toString().toStdString() ==
186			action_formula_string_with_title.toStdString());
187
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189			{
190		8	bool reset_symbol_count_map = true;
191		8	bool store_symbol_count_map = true;
192
193	1/2 ✓ Branch 2 taken 8 times. ✗ Branch 3 not taken.	8	formula_MA_dipeptidyl.validate(
194			isotopic_data_csp, store_symbol_count_map, reset_symbol_count_map);
195	1/2 ✓ Branch 2 taken 8 times. ✗ Branch 3 not taken.	8	titled_formula_MA_dipeptidyl.validate(
196			isotopic_data_csp, store_symbol_count_map, reset_symbol_count_map);
197
198	8/14 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 8 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 8 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 8 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 8 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 4 times.	8	THEN("The + and - sub formulas are checked")
199			{
200			// "+C5H11N1O2S1-H20+C3H7N1O2-H2O"
201	7/18 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 4 times. ✗ Branch 20 not taken. ✓ Branch 25 taken 4 times. ✗ Branch 26 not taken. ✗ Branch 33 not taken. ✗ Branch 34 not taken. ✗ Branch 36 not taken. ✗ Branch 37 not taken.	4	REQUIRE(formula_MA_dipeptidyl.plusFormula().toStdString() ==
202			"C5H11N1O2S1C3H7N1O2");
203	7/18 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 4 times. ✗ Branch 20 not taken. ✓ Branch 25 taken 4 times. ✗ Branch 26 not taken. ✗ Branch 33 not taken. ✗ Branch 34 not taken. ✗ Branch 36 not taken. ✗ Branch 37 not taken.	4	REQUIRE(formula_MA_dipeptidyl.minusFormula().toStdString() ==
204			"H2O1H2O1");
205
206	7/18 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 4 times. ✗ Branch 20 not taken. ✓ Branch 25 taken 4 times. ✗ Branch 26 not taken. ✗ Branch 33 not taken. ✗ Branch 34 not taken. ✗ Branch 36 not taken. ✗ Branch 37 not taken.	4	REQUIRE(titled_formula_MA_dipeptidyl.plusFormula().toStdString() ==
207			"C5H11N1O2S1C3H7N1O2");
208	7/18 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 4 times. ✗ Branch 20 not taken. ✓ Branch 25 taken 4 times. ✗ Branch 26 not taken. ✗ Branch 33 not taken. ✗ Branch 34 not taken. ✗ Branch 36 not taken. ✗ Branch 37 not taken.	4	REQUIRE(titled_formula_MA_dipeptidyl.minusFormula().toStdString() ==
209			"H2O1H2O1");
210		8	}
211
212	8/14 ✓ Branch 1 taken 8 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 8 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 8 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 8 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 8 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 8 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 4 times.	8	AND_THEN(
213			"The symbol counts can be used to craft a new integrated "
214			"elemental composition string formula")
215			{
216			// Expecting result of "C5H11N1O2S1C3H7N1O2" - "H2O1H2O1"
217			// which is C8H18N2O4S1 - H4O2
218			// which is C8H14N2O2S1
219		4	std::vector<std::pair<QString, double>> symbol_count_pairs;
220			QString elemental_composition =
221	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	formula_MA_dipeptidyl.elementalComposition(&symbol_count_pairs);
222	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken. ✗ Branch 31 not taken. ✗ Branch 32 not taken.	4	REQUIRE(elemental_composition.toStdString() == "C8H14N2O2S1");
223
224			elemental_composition =
225	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	titled_formula_MA_dipeptidyl.elementalComposition(&symbol_count_pairs);
226	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken. ✗ Branch 31 not taken. ✗ Branch 32 not taken.	4	REQUIRE(elemental_composition.toStdString() == "C8H14N2O2S1");
227
228			const std::map<QString, double> &formula_symbol_count_map =
229	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	formula_MA_dipeptidyl.symbolCountMap();
230
231	2/4 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken.	4	auto map_iterator = formula_symbol_count_map.find("C");
232	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 4 times. ✗ Branch 9 not taken. ✓ Branch 11 taken 4 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 4 times. ✗ Branch 15 not taken. ✓ Branch 18 taken 4 times. ✗ Branch 19 not taken. ✗ Branch 24 not taken. ✗ Branch 25 not taken. ✗ Branch 27 not taken. ✗ Branch 28 not taken.	4	REQUIRE(map_iterator->second == 8);
233	2/4 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken.	4	map_iterator = formula_symbol_count_map.find("H");
234	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 4 times. ✗ Branch 9 not taken. ✓ Branch 11 taken 4 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 4 times. ✗ Branch 15 not taken. ✓ Branch 18 taken 4 times. ✗ Branch 19 not taken. ✗ Branch 24 not taken. ✗ Branch 25 not taken. ✗ Branch 27 not taken. ✗ Branch 28 not taken.	4	REQUIRE(map_iterator->second == 14);
235	2/4 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken.	4	map_iterator = formula_symbol_count_map.find("N");
236	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 4 times. ✗ Branch 9 not taken. ✓ Branch 11 taken 4 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 4 times. ✗ Branch 15 not taken. ✓ Branch 18 taken 4 times. ✗ Branch 19 not taken. ✗ Branch 24 not taken. ✗ Branch 25 not taken. ✗ Branch 27 not taken. ✗ Branch 28 not taken.	4	REQUIRE(map_iterator->second == 2);
237	2/4 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken.	4	map_iterator = formula_symbol_count_map.find("O");
238	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 4 times. ✗ Branch 9 not taken. ✓ Branch 11 taken 4 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 4 times. ✗ Branch 15 not taken. ✓ Branch 18 taken 4 times. ✗ Branch 19 not taken. ✗ Branch 24 not taken. ✗ Branch 25 not taken. ✗ Branch 27 not taken. ✗ Branch 28 not taken.	4	REQUIRE(map_iterator->second == 2);
239	2/4 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken.	4	map_iterator = formula_symbol_count_map.find("S");
240	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 4 times. ✗ Branch 9 not taken. ✓ Branch 11 taken 4 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 4 times. ✗ Branch 15 not taken. ✓ Branch 18 taken 4 times. ✗ Branch 19 not taken. ✗ Branch 24 not taken. ✗ Branch 25 not taken. ✗ Branch 27 not taken. ✗ Branch 28 not taken.	4	REQUIRE(map_iterator->second == 1);
241		12	}
242		8	}
243		8	}
244		8	}
245
246
247		24	SCENARIO("Various ways to account a Formula for its masses (mono, avg)")
248			{
249	1/2 ✓ Branch 1 taken 24 times. ✗ Branch 2 not taken.	24	IsotopicDataLibraryHandler iso_data_lib_handler;
250
251		24	std::size_t non_isotope_skipped_items = 0;
252			std::size_t loaded_isotope_count =
253	1/2 ✓ Branch 1 taken 24 times. ✗ Branch 2 not taken.	24	iso_data_lib_handler.loadData(non_isotope_skipped_items);
254
255		24	IsotopicDataCstSPtr isotopic_data_csp = nullptr;
256
257	5/14 ✓ Branch 4 taken 24 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 24 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 24 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 24 times. ✗ Branch 14 not taken. ✓ Branch 17 taken 24 times. ✗ Branch 18 not taken. ✗ Branch 23 not taken. ✗ Branch 24 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken.	24	REQUIRE(loaded_isotope_count + non_isotope_skipped_items ==
258			IsoSpec::isospec_number_of_isotopic_entries);
259
260	1/2 ✓ Branch 1 taken 24 times. ✗ Branch 2 not taken.	24	isotopic_data_csp = iso_data_lib_handler.getIsotopicData();
261	6/16 ✓ Branch 4 taken 24 times. ✗ Branch 5 not taken. ✓ Branch 8 taken 24 times. ✗ Branch 9 not taken. ✓ Branch 11 taken 24 times. ✗ Branch 12 not taken. ✓ Branch 14 taken 24 times. ✗ Branch 15 not taken. ✓ Branch 17 taken 24 times. ✗ Branch 18 not taken. ✓ Branch 21 taken 24 times. ✗ Branch 22 not taken. ✗ Branch 27 not taken. ✗ Branch 28 not taken. ✗ Branch 30 not taken. ✗ Branch 31 not taken.	24	REQUIRE(isotopic_data_csp->size() == loaded_isotope_count);
262
263	1/2 ✓ Branch 1 taken 24 times. ✗ Branch 2 not taken.	24	Formula formula_MA_dipeptidyl(action_formula_string_MA_dipeptidyl);
264
265	8/14 ✓ Branch 1 taken 24 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 24 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 24 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 24 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 24 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 24 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 20 times.	24	WHEN("A Formula is created from string")
266			{
267
268	7/14 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 4 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✗ Branch 24 not taken.	4	THEN("Only its string formula is updated")
269			{
270	8/20 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 4 times. ✗ Branch 20 not taken. ✓ Branch 22 taken 4 times. ✗ Branch 23 not taken. ✓ Branch 29 taken 4 times. ✗ Branch 30 not taken. ✗ Branch 38 not taken. ✗ Branch 39 not taken. ✗ Branch 41 not taken. ✗ Branch 42 not taken.	4	REQUIRE(formula_MA_dipeptidyl.toString().toStdString() ==
271			action_formula_string_MA_dipeptidyl.toStdString());
272		4	}
273		24	}
274
275	8/14 ✓ Branch 1 taken 24 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 24 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 24 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 24 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 24 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 24 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 20 times.	24	AND_WHEN(
276			"That formula is validated with adequate options, its other member data "
277			"are updated")
278			{
279		4	bool reset_symbol_count_map = true;
280		4	bool store_symbol_count_map = true;
281
282	1/2 ✓ Branch 2 taken 4 times. ✗ Branch 3 not taken.	4	formula_MA_dipeptidyl.validate(
283			isotopic_data_csp, store_symbol_count_map, reset_symbol_count_map);
284
285	7/14 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 4 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✗ Branch 24 not taken.	4	THEN("The + and - sub formulas are checked")
286			{
287			// "+C5H11N1O2S1-H20+C3H7N1O2-H2O"
288	7/18 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 4 times. ✗ Branch 20 not taken. ✓ Branch 25 taken 4 times. ✗ Branch 26 not taken. ✗ Branch 33 not taken. ✗ Branch 34 not taken. ✗ Branch 36 not taken. ✗ Branch 37 not taken.	4	REQUIRE(formula_MA_dipeptidyl.plusFormula().toStdString() ==
289			"C5H11N1O2S1C3H7N1O2");
290	7/18 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 19 taken 4 times. ✗ Branch 20 not taken. ✓ Branch 25 taken 4 times. ✗ Branch 26 not taken. ✗ Branch 33 not taken. ✗ Branch 34 not taken. ✗ Branch 36 not taken. ✗ Branch 37 not taken.	4	REQUIRE(formula_MA_dipeptidyl.minusFormula().toStdString() == "H2O1H2O1");
291		4	}
292		24	}
293
294	8/14 ✓ Branch 1 taken 24 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 24 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 24 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 24 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 24 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 24 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 16 times. ✓ Branch 24 taken 8 times.	24	AND_WHEN("Masses are accounted for the action-formula")
295			{
296
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298			{
299		4	double mono = 0;
300		4	double avg = 0;
301		4	bool result = false;
302
303			result =
304	1/2 ✓ Branch 2 taken 4 times. ✗ Branch 3 not taken.	4	formula_MA_dipeptidyl.accountMasses(isotopic_data_csp, &mono, &avg, 1);
305	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✗ Branch 23 not taken. ✗ Branch 24 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken.	4	REQUIRE(result == true);
306	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 18 taken 4 times. ✗ Branch 19 not taken. ✗ Branch 25 not taken. ✗ Branch 26 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken.	4	REQUIRE_THAT(mono,
307			Catch::Matchers::WithinAbs(202.07759887468, 0.0000000001));
308	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 18 taken 4 times. ✗ Branch 19 not taken. ✗ Branch 25 not taken. ✗ Branch 26 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken.	4	REQUIRE_THAT(
309			avg, Catch::Matchers::WithinAbs(202.274890194285717, 0.0000000001));
310		16	}
311
312	8/14 ✓ Branch 1 taken 16 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 16 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 16 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 16 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 16 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 16 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 12 times.	16	AND_THEN("In another possible way")
313			{
314		4	double mono = 0;
315		4	double avg = 0;
316		4	bool result = false;
317
318			result =
319	1/2 ✓ Branch 2 taken 4 times. ✗ Branch 3 not taken.	4	formula_MA_dipeptidyl.accountMasses(isotopic_data_csp, &mono, &avg, 10);
320	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✗ Branch 23 not taken. ✗ Branch 24 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken.	4	REQUIRE(result == true);
321	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 18 taken 4 times. ✗ Branch 19 not taken. ✗ Branch 25 not taken. ✗ Branch 26 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken.	4	REQUIRE_THAT(
322			mono, Catch::Matchers::WithinAbs(202.07759887468 * 10, 0.0000000001));
323	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 18 taken 4 times. ✗ Branch 19 not taken. ✗ Branch 25 not taken. ✗ Branch 26 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken.	4	REQUIRE_THAT(
324			avg,
325			Catch::Matchers::WithinAbs(202.274890194285717 * 10, 0.0000000001));
326		16	}
327
328	8/14 ✓ Branch 1 taken 16 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 16 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 16 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 16 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 16 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 16 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 12 times.	16	AND_THEN("In another possible way")
329			{
330	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	Ponderable ponderable(0, 0);
331		4	bool result = false;
332
333			result =
334	1/2 ✓ Branch 2 taken 4 times. ✗ Branch 3 not taken.	4	formula_MA_dipeptidyl.accountMasses(isotopic_data_csp, &ponderable, 1);
335	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✗ Branch 23 not taken. ✗ Branch 24 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken.	4	REQUIRE(result == true);
336	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken. ✗ Branch 31 not taken. ✗ Branch 32 not taken.	4	REQUIRE_THAT(ponderable.mono(),
337			Catch::Matchers::WithinAbs(202.07759887468, 0.0000000001));
338	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken. ✗ Branch 31 not taken. ✗ Branch 32 not taken.	4	REQUIRE_THAT(
339			ponderable.avg(),
340			Catch::Matchers::WithinAbs(202.274890194285717, 0.0000000001));
341		20	}
342
343	8/14 ✓ Branch 1 taken 16 times. ✗ Branch 2 not taken. ✓ Branch 4 taken 16 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 16 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 16 times. ✗ Branch 11 not taken. ✓ Branch 15 taken 16 times. ✗ Branch 16 not taken. ✓ Branch 21 taken 16 times. ✗ Branch 22 not taken. ✓ Branch 23 taken 4 times. ✓ Branch 24 taken 12 times.	16	AND_THEN("In another possible way")
344			{
345	1/2 ✓ Branch 1 taken 4 times. ✗ Branch 2 not taken.	4	Ponderable ponderable(0, 0);
346		4	bool result = false;
347
348			result =
349	1/2 ✓ Branch 2 taken 4 times. ✗ Branch 3 not taken.	4	formula_MA_dipeptidyl.accountMasses(isotopic_data_csp, &ponderable, 10);
350	5/14 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 17 taken 4 times. ✗ Branch 18 not taken. ✗ Branch 23 not taken. ✗ Branch 24 not taken. ✗ Branch 26 not taken. ✗ Branch 27 not taken.	4	REQUIRE(result == true);
351	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken. ✗ Branch 31 not taken. ✗ Branch 32 not taken.	4	REQUIRE_THAT(
352			ponderable.mono(),
353			Catch::Matchers::WithinAbs(202.07759887468 * 10, 0.0000000001));
354	6/16 ✓ Branch 4 taken 4 times. ✗ Branch 5 not taken. ✓ Branch 7 taken 4 times. ✗ Branch 8 not taken. ✓ Branch 10 taken 4 times. ✗ Branch 11 not taken. ✓ Branch 13 taken 4 times. ✗ Branch 14 not taken. ✓ Branch 16 taken 4 times. ✗ Branch 17 not taken. ✓ Branch 21 taken 4 times. ✗ Branch 22 not taken. ✗ Branch 28 not taken. ✗ Branch 29 not taken. ✗ Branch 31 not taken. ✗ Branch 32 not taken.	4	REQUIRE_THAT(
355			ponderable.avg(),
356			Catch::Matchers::WithinAbs(202.274890194285717 * 10, 0.0000000001));
357		20	}
358		24	}
359		24	}
360
361
362			} // namespace libXpertMass
363			} // namespace MsXpS
364

Function (Line)	Call count	Block coverage
MsXpS::libXpertMass::CATCH2_INTERNAL_TEST_0() (line 38)	called 12 times, returned 12 times	47.0%
MsXpS::libXpertMass::CATCH2_INTERNAL_TEST_12() (line 100)	called 20 times, returned 20 times	48.0%
MsXpS::libXpertMass::CATCH2_INTERNAL_TEST_23() (line 162)	called 8 times, returned 8 times	47.0%
MsXpS::libXpertMass::CATCH2_INTERNAL_TEST_29() (line 247)	called 24 times, returned 24 times	46.0%
MsXpS::libXpertMass::CATCH2_INTERNAL_TEST_8() (line 82)	called 4 times, returned 4 times	47.0%